Inorganic Solid Phases

(Na0.51Ca0.190.30)(Al1.62Li1.13Mn2+0.09Fe2+0.010.15)(Al6.00)(Si5.89B0.11)(BO3)3O18(OH)3F0.66(OH)0.34 (Na0.57Li1.26Ca0.14Mn0.29Al7.61Si6[BO3]3O18.50[OH]2.87F0.63) Crystal Structure

General Information

  • Phase Label(s): Na0.57Li1.26Ca0.14Mn0.29Al7.61Si6[BO3]3O18.50[OH]2.87F0.63
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): elbaite
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18[OH]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement on F2; 95 variables; 5665 reflections, R = 0.0130
  • Sample Detail(s): elbaite sample from U.S.A. California, San Diego County, Himalaya mine, electron microprobe analysis, Mössbauer spectroscopy; (Na0.51Ca0.190.30)(Al1.62Li1.13Mn2+0.09Fe2+0.010.15)(Al6.00)(Si5.89B0.11)[BO3]3O18[OH]3F0.66[OH]0.34, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.51Li1.13Ca0.19Mn0.1Al7.63Si5.89B0.11[BO3]3O18[OH]3.34F0.66
  • Alphabetic Formula: Al7.63B0.11[BO3]3Ca0.19F0.66Li1.13Mn0.1Na0.51O18[OH]3.34Si5.89
  • Published Formula: (Na0.51Ca0.190.30)(Al1.62Li1.13Mn2+0.09Fe2+0.010.15)(Al6.00)(Si5.89B0.11)(BO3)3O18(OH)3F0.66(OH)0.34
  • Refined Formula: Al7.68B3.22F0.82H3.18Li1.32Na0.82O30.18Si5.78
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.03 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1225381

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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